* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    233     442
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02026   101.42585   -45.39382
    3     1 S   H    _H1_     3     1.02108    75.47706    61.21447
    4     1 S   H    _H2_     4     1.02158    39.01287  -151.05561
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.85092    97.32907   161.84103
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C5_    37     1.53808   107.60665   -79.99615
   38    33 S   CT   _C13    59     1.53296   108.98083   154.10320
   39    38 S   HC   _H12    60     1.09074   115.72194    92.15903
   40    38 S   HC   _H13    61     1.09628   113.05268   -35.50700
   41    33 S   OS   _O34    62     1.42867   107.84351    42.52545
   42    37 S   CM   _C6_    38     1.35317   130.39942   104.18762
   43    42 S   HC   _H9_    39     1.09552   113.75497  -179.16514
   44    37 S   CT   _C4_    78     1.52716   114.58218   -75.91476
   45    44 S   HC   _H6_    79     1.07895   108.15022   -89.86761
   46    44 S   HC   _H7_    80     1.07871   108.18708   149.92073
   47    44 S   HC   _H8_    81     1.07976   108.14319    30.22442
   48    42 S   CT   _C7_    40     1.50820   139.08956     2.31596
   49    48 S   HC   _H3_    41     1.10112   104.64575   132.99607
   50    48 S   CT   _C8_    42     1.52532   125.13712     7.15017
   51    50 S   HC   _H4_    43     1.09308   110.88902   -48.10478
   52    50 S   CM   _C20    44     1.50098    99.21146  -156.26745
   53    50 S   CT   _C9_    51     1.54400   114.94612    79.13609
   54    53 S   HC   _H5_    52     1.09989   109.28419   177.41139
   55    52 S   CO4  _C22    45     1.47842   108.16659    26.64914
   56    55 S   O    _O37    46     1.21786   127.30215   167.54931
   57    52 S   CM   _C21    48     1.33505   130.46442  -152.73048
   58    57 S   HC   _H22    49     1.08319   120.73309     0.04846
   59    57 S   HC   _H23    50     1.08395   120.67955   180.00000
   60    53 S   CT   _C10    53     1.53960   115.31367   -59.34330
   61    60 S   HC   _H10    54     1.09802   108.79457    64.72101
   62    60 S   HC   _H11    55     1.09954   108.92390   176.81297
   63    53 S   OS   _O35    67     1.43354   108.99456    60.93716
   64    48 S   OS   _O38    47     1.44922   107.13679  -115.53838
   65    60 S   CT   _C11    56     1.52852   115.22298   -59.90430
   66    63 S   CO4  _C16    68     1.36023   115.55800   148.03654
   67    66 S   O    _O36    69     1.22267   126.00160    -0.06853
   68    65 S   CO4  _C12    57     1.50802   111.82956   161.69665
   69    68 S   O    _O33    58     1.22359   124.79832    60.70888
   70    65 S   CT   _C15    63     1.52257   113.21238   -72.24121
   71    70 S   HC   _H14    64     1.09051   110.05399    53.36162
   72    70 S   HC   _H15    65     1.09089   110.07235   -66.62768
   73    70 S   HC   _H16    66     1.09002   110.03683   173.36812
   74    66 S   CM   _C17    70     1.48955   109.45117  -179.96574
   75    74 S   CM   _C18    71     1.34102   117.31921  -150.09262
   76    75 S   HC   _H17    72     1.08528   120.83276   179.96574
   77    75 S   HC   _H18    73     1.08477   122.68057     0.02798
   78    74 S   CT   _C19    74     1.49831   120.32417    29.92212
   79    78 S   HC   _H19    75     1.09535   110.56983   -89.97093
   80    78 S   HC   _H20    76     1.09516   110.58075    30.50206
   81    78 S   HC   _H21    77     1.09521   111.92932   150.21521
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  16  10   5   4  13  13   5   4   2   1   1  12
   6  16   8  10  14   6   5   2   3   1   1  11   5   4   6   1
   6   9   3   5   1   3   2   1   1   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    65    68    38    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    60    65    68    69    38    39    40    41    70    44    45    46    47  
   35    36  
   36  
    0  
   42    43    48    49    50    64    65    68    38    39    40    41    44    45    46    47  
   39    40    41    70    44    42    60    65    68    69  
   40    41    65    68    69  
   41    65    68    69  
   70    71    72    73    44    42    53    60    61    62    65    68    69  
   43    48    49    50    51    52    55    64    53    44    45    46    47  
   48    49    50    64    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    52    55    56    64    57    53    54    60    63  
   50    51    52    55    64    53  
   51    52    55    56    64    57    58    59    53    54    60    61    62    65    63    66  
   52    55    64    57    53    54    60    63  
   55    56    64    57    58    59    53    54    60    63  
   54    60    61    62    65    68    70    63    66    67    74    55    57    64  
   60    61    62    65    63    66  
   56    64    57    58    59  
   64    57  
   58    59    64  
   59  
    0  
   61    62    65    68    69    70    71    72    73    63    66  
   62    65    68    70    63  
   65    68    70    63  
   66    67    74    75    78    65  
    0  
   68    69    70    71    72    73  
   67    74    75    76    77    78    79    80    81  
   74    75    78  
   69    70    71    72    73  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    41   320.000  1.410
   37    42   549.000  1.340
   37    44   317.000  1.510
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    64   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    64   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    68   317.000  1.522
   65    41   320.000  1.410
   65    70   268.000  1.529
   68    69   570.000  1.229
   68    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    66   214.000  1.327
   66    67   570.000  1.229
   66    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    38    68    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    65    60.00000  109.50000
   37    42    43    35.00000  120.00000
   37    42    48    70.00000  124.00000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    64    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    52    70.00000  112.02700
   48    50    53    58.35000  112.70000
   48    64    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    55    65.00000  116.34900
   50    52    57    70.00000  124.00000
   50    53    54    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    53    63    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    64    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   64    48    49    35.00000  109.50000
   64    48    50    50.00000  109.50000
   64    55    56    83.00000  123.40000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    58.35000  112.70000
   53    63    66    83.00000  116.90000
   60    53    54    37.50000  110.70000
   60    65    68    63.00000  111.10000
   60    65    41    50.00000  109.50000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    68    69    80.00000  120.40000
   65    68    38    70.00000  116.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    38    39    35.00000  109.50000
   68    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    68    69    80.00000  120.40000
   40    38    39    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    38    50.00000  109.50000
   41    65    68    90.00000  108.74100
   70    65    68    63.00000  111.10000
   70    65    41    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    53    54    35.00000  109.50000
   63    53    60    50.00000  109.50000
   63    66    67    83.00000  123.40000
   63    66    74    90.00000  111.29400
   66    74    75    65.00000  118.96000
   66    74    78    65.00000  116.34900
   74    66    67    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    37    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    38    68   0.56750  1.0 1.0
   29    33    38    68  -0.07550 -1.0 2.0
   29    33    38    68   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    41    65   0.14700  1.0 1.0
   29    33    41    65  -1.16150 -1.0 2.0
   29    33    41    65   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    48   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   37    33    38    68  -0.98800  1.0 1.0
   37    33    38    68   0.48800 -1.0 2.0
   37    33    38    68   0.76800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    65  -0.77900  1.0 1.0
   37    33    41    65  -0.36900 -1.0 2.0
   37    33    41    65   0.40400  1.0 3.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.09850  1.0 1.0
   37    42    48    50   0.15250 -1.0 2.0
   37    42    48    50  -0.50650  1.0 3.0
   37    42    48    64   0.39000  1.0 1.0
   37    42    48    64  -0.05800 -1.0 2.0
   37    42    48    64  -0.55150  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    52   0.31000  1.0 1.0
   42    48    50    52   0.14700 -1.0 2.0
   42    48    50    52   0.07550  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    64    55  -0.82050  1.0 1.0
   42    48    64    55   0.00600 -1.0 2.0
   42    48    64    55   0.04400  1.0 3.0
   43    42    48    49   0.33100  1.0 3.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    64   0.00000  1.0 1.0
   48    50   -52    55   0.09700  1.0 1.0
   48    50   -52    55   0.15600 -1.0 2.0
   48    50   -52    55  -0.50800  1.0 3.0
   48    50    52    57   0.09850  1.0 1.0
   48    50    52    57   0.15250 -1.0 2.0
   48    50    52    57  -0.50650  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    60   0.56750  1.0 1.0
   48    50    53    60  -0.07550 -1.0 2.0
   48    50    53    60   0.20000  1.0 3.0
   48    50    53    63   0.62750  1.0 1.0
   48    50    53    63  -0.30950 -1.0 2.0
   48    50    53    63   0.27300  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    64    55   0.08050  1.0 3.0
   50    48   -64    55  -0.25900  1.0 1.0
   50    48   -64    55  -0.47000 -1.0 2.0
   50    48   -64    55   0.11750  1.0 3.0
   50    52    55    56  -0.64400  1.0 1.0
   50    52    55    56   0.26850 -1.0 2.0
   50    52   -55    64  -0.15000  1.0 1.0
   50    52   -55    64   0.89550 -1.0 2.0
   50    52   -55    64  -0.06900  1.0 3.0
   50    52    57    58   7.00000 -1.0 2.0
   50    52    57    59   7.00000 -1.0 2.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    65   0.56750  1.0 1.0
   50    53    60    65  -0.07550 -1.0 2.0
   50    53    60    65   0.20000  1.0 3.0
   50    53    63    66  -0.25900  1.0 1.0
   50    53    63    66  -0.47000 -1.0 2.0
   50    53    63    66   0.11750  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    53    63   0.23400  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    60   0.34400  1.0 1.0
   52    50    53    60   0.09450 -1.0 2.0
   52    50    53    60   0.11100  1.0 3.0
   52    50    53    63   0.61850  1.0 1.0
   52    50    53    63  -0.22750 -1.0 2.0
   52    50    53    63   0.15300  1.0 3.0
   52    55   -64    48   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   56    55    64    48   3.00000 -1.0 2.0
   64    48    50    51   0.23400  1.0 3.0
   64    48   -50    52   0.61850  1.0 1.0
   64    48   -50    52  -0.22750 -1.0 2.0
   64    48   -50    52   0.15300  1.0 3.0
   64    48    50    53   0.62750  1.0 1.0
   64    48    50    53  -0.30950 -1.0 2.0
   64    48    50    53   0.27300  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    64  -0.56150  1.0 1.0
   57    52    55    64   2.19150 -1.0 2.0
   53    50    52    55   0.09700  1.0 1.0
   53    50    52    55   0.15600 -1.0 2.0
   53    50    52    55  -0.50800  1.0 3.0
   53    50    52    57   0.09850  1.0 1.0
   53    50    52    57   0.15250 -1.0 2.0
   53    50    52    57  -0.50650  1.0 3.0
   53    60    65    68  -0.95700  1.0 1.0
   53    60    65    68  -0.18200 -1.0 2.0
   53    60    65    68   0.29450  1.0 3.0
   53    60    65    41   0.62750  1.0 1.0
   53    60    65    41  -0.30950 -1.0 2.0
   53    60    65    41   0.27300  1.0 3.0
   53    60    65    70   0.56750  1.0 1.0
   53    60    65    70  -0.07550 -1.0 2.0
   53    60    65    70   0.20000  1.0 3.0
   53    63    66    67   3.00000 -1.0 2.0
   53    63    66    74   2.00000 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    65   0.15000  1.0 3.0
   54    53    63    66   0.08050  1.0 3.0
   60    53    63    66  -0.25900  1.0 1.0
   60    53    63    66  -0.47000 -1.0 2.0
   60    53    63    66   0.11750  1.0 3.0
   60    65    68    69   0.30150 -1.0 2.0
   60    65    68    38   0.60050  1.0 1.0
   60    65    68    38   0.05600 -1.0 2.0
   60    65    68    38   0.26150  1.0 3.0
   60    65    41    33   0.06250  1.0 1.0
   60    65    41    33  -0.01100 -1.0 2.0
   60    65    41    33   0.28050  1.0 3.0
   60    65    70    71   0.15000  1.0 3.0
   60    65    70    72   0.15000  1.0 3.0
   60    65    70    73   0.15000  1.0 3.0
   61    60    65    68  -0.11250  1.0 3.0
   61    60    65    41   0.23400  1.0 3.0
   61    60    65    70   0.15000  1.0 3.0
   62    60    65    68  -0.11250  1.0 3.0
   62    60    65    41   0.23400  1.0 3.0
   62    60    65    70   0.15000  1.0 3.0
   65    68   -38    33   0.60050  1.0 1.0
   65    68   -38    33   0.05600 -1.0 2.0
   65    68   -38    33   0.26150  1.0 3.0
   65    68    38    39   0.00000  1.0 1.0
   65    68    38    40   0.00000  1.0 1.0
   68    65   -41    33  -1.11000  1.0 1.0
   68    65   -41    33   0.50250 -1.0 2.0
   68    65   -41    33   0.47450  1.0 3.0
   68    65    70    71  -0.11250  1.0 3.0
   68    65    70    72  -0.11250  1.0 3.0
   68    65    70    73  -0.11250  1.0 3.0
   69    68    38    33   0.30150 -1.0 2.0
   69    68    38    39   0.00000  1.0 1.0
   69    68    38    40   0.00000  1.0 1.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33   -41    65   0.06250  1.0 1.0
   38    33   -41    65  -0.01100 -1.0 2.0
   38    33   -41    65   0.28050  1.0 3.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    37    44   0.09700  1.0 1.0
   41    33    37    44   0.15600 -1.0 2.0
   41    33    37    44  -0.50800  1.0 3.0
   41    33   -38    68  -0.09450  1.0 1.0
   41    33   -38    68  -1.12950 -1.0 2.0
   41    33   -38    68   0.54000  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    65    68    69   0.30150 -1.0 2.0
   41    65   -68    38   0.55300  1.0 1.0
   41    65   -68    38   1.25850 -1.0 2.0
   41    65   -68    38  -0.23600  1.0 3.0
   41    65    70    71   0.23400  1.0 3.0
   41    65    70    72   0.23400  1.0 3.0
   41    65    70    73   0.23400  1.0 3.0
   70    65    68    69   0.30150 -1.0 2.0
   70    65    68    38   0.60050  1.0 1.0
   70    65    68    38   0.05600 -1.0 2.0
   70    65    68    38   0.26150  1.0 3.0
   70    65    41    33   0.06250  1.0 1.0
   70    65    41    33  -0.01100 -1.0 2.0
   70    65    41    33   0.28050  1.0 3.0
   63    53    60    61   0.23400  1.0 3.0
   63    53    60    62   0.23400  1.0 3.0
   63    53    60    65   0.62750  1.0 1.0
   63    53    60    65  -0.30950 -1.0 2.0
   63    53    60    65   0.27300  1.0 3.0
   63    66    74    75  -0.56150  1.0 1.0
   63    66    74    75   2.19150 -1.0 2.0
   63    66    74    78  -0.15000  1.0 1.0
   63    66    74    78   0.89550 -1.0 2.0
   63    66    74    78  -0.06900  1.0 3.0
   66    74    75    76   7.00000 -1.0 2.0
   66    74    75    77   7.00000 -1.0 2.0
   66    74    78    79   0.15000  1.0 3.0
   66    74    78    80   0.15000  1.0 3.0
   66    74    78    81   0.15000  1.0 3.0
   67    66    74    75   1.00000 -1.0 2.0
   67    66    74    78  -0.64400  1.0 1.0
   67    66    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    48   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   48    43    42    37   1.10000 -1.0 2.0
   50    55    52    57   1.10000 -1.0 2.0
   52    64    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   65    38    68    69  10.50000 -1.0 2.0
   63    74    66    67  10.50000 -1.0 2.0
   66    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
